For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester
SpectraBase Compound ID GeEQXguxLL7
InChI InChI=1S/C18H23BrO4/c1-12(2)11-22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(19)8-10-14/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKey ZCSZPBXBYMQQIX-UHFFFAOYSA-N
Mol Weight 383.28 g/mol
Molecular Formula C18H23BrO4
Exact Mass 382.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4u6egMzyag2
Name 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.077972217 u
Formula C18H23BrO4
InChI InChI=1S/C18H23BrO4/c1-12(2)11-22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(19)8-10-14/h7-10,12,15-16H,3-6,11H2,1-2H3
InChIKey ZCSZPBXBYMQQIX-UHFFFAOYSA-N
Molecular Weight 383.282 g/mol
SMILES C1(=CC=C(C=C1)Br)OC(C1CCCCC1C(=O)OCC(C)C)=O